{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2189495 1.339244 0.7518414 ] [ 0.142075 0.0899403 -0.5550735 ] [ -2.8718257 -1.1073137 1.1807974 ] [ -0.6141255 -1.5919673 -0.0237695 ] [ -0.2188735 0.414718 -0.1457122 ] [ 2.5005374 1.0688816 -0.4097302 ] [ -0.1567372 -0.2135028 -0.7983535 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.95297239083585e-09 2.145705426346675e-09 1.204582713629541e-09 ] [ 2.2762924340016e-10 1.441002459277382e-10 -8.893257845256288e-10 ] [ -4.601171995552594e-09 -1.774112122031545e-09 1.891845988181426e-09 ] [ -9.839375183371105e-10 -2.5506127891381e-09 -3.80829371881056e-11 ] [ -3.506740046126688e-10 6.644514838249344e-10 -2.334566802053338e-10 ] [ 4.006302561716018e-09 1.712537109923297e-09 -6.564601472757082e-10 ] [ -2.511206774496538e-10 -3.420691946353382e-10 -1.279103312833853e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.551114 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.773304424459557e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4941465 1.2561516 1.5356332 ] [ 1.2263941 1.9019881 3.8284247 ] [ 1.4205555 3.5973472 2.0446487 ] [ 3.8411005 1.1997141 1.7374503 ] [ 3.5385112 1.3181415 4.0712278 ] [ 3.794735 3.5554617 1.7172208 ] [ 2.9697092 3.6443166 3.9660316 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4941465e-10 1.2561516e-10 1.5356332e-10 ] [ 1.2263941e-10 1.9019881e-10 3.8284247e-10 ] [ 1.4205555e-10 3.5973472e-10 2.0446487e-10 ] [ 3.8411005e-10 1.1997141e-10 1.7374503e-10 ] [ 3.5385112e-10 1.3181415e-10 4.0712278e-10 ] [ 3.794735e-10 3.5554617e-10 1.7172208e-10 ] [ 2.9697092e-10 3.6443166e-10 3.9660316e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.7e-06 1.8e-06 -1.43e-05 ] [ 2.89e-05 1.9e-05 1.3e-06 ] [ 1.8e-06 -2.38e-05 2.29e-05 ] [ -1.57e-05 1.06e-05 4.4e-06 ] [ -1.42e-05 -7e-07 -7.6e-06 ] [ 4.6e-06 -9.4e-06 1.7e-05 ] [ -1.31e-05 2.6e-06 -2.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.233675998016e-14 2.88391791744e-15 -2.291112567744e-14 ] [ 4.630290434112001e-14 3.04413557952e-14 2.08282960704e-15 ] [ 2.88391791744e-15 -3.813180357504e-14 3.668984461632e-14 ] [ -2.515417294656e-14 1.698307218048e-14 7.04957713152e-15 ] [ -2.275090801536e-14 -1.12152363456e-15 -1.217654231808e-14 ] [ 7.370012455680001e-15 -1.506046023552e-14 2.72370025536e-14 ] [ -2.098851373248e-14 4.16565921408e-15 -3.781136825088e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }